1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone

C14H21N3O — CID 125135147

IUPAC1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC[C@@H]2CN)cn1
InChIInChI=1S/C14H21N3O/c1-11-5-6-12(10-16-11)8-14(18)17-7-3-2-4-13(17)9-15/h5-6,10,13H,2-4,7-9,15H2,1H3/t13-/m1/s1
InChIKeyUCTGVVAYDNAAAE-CYBMUJFWSA-N
MW247.34 g/mol
LogP1.27
Rot. Bonds3

About 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone

1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone (PubChem CID 125135147) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
PubChem CID125135147
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC[C@@H]2CN)cn1
InChIInChI=1S/C14H21N3O/c1-11-5-6-12(10-16-11)8-14(18)17-7-3-2-4-13(17)9-15/h5-6,10,13H,2-4,7-9,15H2,1H3/t13-/m1/s1
InChIKeyUCTGVVAYDNAAAE-CYBMUJFWSA-N
XLogP1.27
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(6-methyl-3-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119364937
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,4-dichlorophenyl)ethanone;hydrochloride
CID 119468471
1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 119466651
1-[2-(aminomethyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 116639946
1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 94149813
2-(6-methyl-3-pyridinyl)-1-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone
CID 95371203
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 125145404
1-[2-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63395233
1-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95616938
2-(6-methyl-3-pyridinyl)-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]ethanone
CID 56817506
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119468901
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 119663814

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone (CID 125135147) is 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone is Cc1ccc(CC(=O)N2CCCC[C@@H]2CN)cn1.
What is the InChIKey of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is UCTGVVAYDNAAAE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-5-6-12(10-16-11)8-14(18)17-7-3-2-4-13(17)9-15/h5-6,10,13H,2-4,7-9,15H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 125135147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).